3-methyl-N-[2,2,2-tris(chloranyl)-1-(naphthalen-2-ylcarbamothioylamino)ethyl]butanamide

Systemtic Name: 3-methyl-N-[2,2,2-tris(chloranyl)-1-(naphthalen-2-ylcarbamothioylamino)ethyl]butanamide Openeye Name: 3-methyl-N-[2,2,2-trichloro-1-(2-naphthylcarbamothioylamino)ethyl]butanamide CAS Name: 3-methyl-N-[2,2,2-trichloro-1-[[(2-naphthalenylamino)-sulfanylidenemethyl]amino]ethyl]butanamide IUPAC Name: 3-methyl-N-[2,2,2-trichloro-1-(naphthalen-2-ylcarbamothioylamino)ethyl]butanamide Traditional Name: 3-methyl-N-[2,2,2-trichloro-1-(2-naphthylthiocarbamoylamino)ethyl]butyramide Formula: C18H20Cl3N3OS MolecularWeight: 432.7949

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC1=CC2=CC=CC=C2C=C1

Isomeric SMILES

CC(C)CC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC1=CC2=CC=CC=C2C=C1

InChI

InChI=1S/C18H20Cl3N3OS/c1-11(2)9-15(25)23-16(18(19,20)21)24-17(26)22-14-8-7-12-5-3-4-6-13(12)10-14/h3-8,10-11,16H,9H2,1-2H3,(H,23,25)(H2,22,24,26)